Triplet State Baird Aromaticity in Macrocycles: Scope, Limitations, and Complications

[Image: see text] The aromaticity of cyclic 4nπ-electron molecules in their first ππ* triplet state (T(1)), labeled Baird aromaticity, has gained growing attention in the past decade. Here we explore computationally the limitations of T(1) state Baird aromaticity in macrocyclic compounds, [n]CM’s, w...

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Bibliografske podrobnosti
izdano v:J Phys Chem A
Main Authors: Ayub, Rabia, El Bakouri, Ouissam, Smith, Joshua R., Jorner, Kjell, Ottosson, Henrik
Format: Artigo
Jezik:Inglês
Izdano: American Chemical Society 2021
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC7884009/
https://ncbi.nlm.nih.gov/pubmed/33427474
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpca.0c08926
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